(2R,3S,4S,5S)-2-[(6-aminopurin-9-yl)methyl]-5-(hydroxymethyl)oxolane-3,4-diol

C11H15N5O4 — CID 11507438

IUPAC(2R,3S,4S,5S)-2-[(6-aminopurin-9-yl)methyl]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESNc1ncnc2c1ncn2C[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H15N5O4/c12-10-7-11(14-3-13-10)16(4-15-7)1-5-8(18)9(19)6(2-17)20-5/h3-6,8-9,17-19H,1-2H2,(H2,12,13,14)/t5-,6+,8-,9-/m1/s1
InChIKeyLYHALGWGJNNIHO-HSLWUYEYSA-N
MW281.27 g/mol
LogP-2.11
Rot. Bonds3

About (2R,3S,4S,5S)-2-[(6-aminopurin-9-yl)methyl]-5-(hydroxymethyl)oxolane-3,4-diol

(2R,3S,4S,5S)-2-[(6-aminopurin-9-yl)methyl]-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 11507438) has the molecular formula C11H15N5O4 and a molecular weight of 281.27 g/mol. Its IUPAC name is (2R,3S,4S,5S)-2-[(6-aminopurin-9-yl)methyl]-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4S,5S)-2-[(6-aminopurin-9-yl)methyl]-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID11507438
Molecular FormulaC11H15N5O4
Molecular Weight281.27 g/mol
Exact Mass281.11
IUPAC Name(2R,3S,4S,5S)-2-[(6-aminopurin-9-yl)methyl]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESNc1ncnc2c1ncn2C[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H15N5O4/c12-10-7-11(14-3-13-10)16(4-15-7)1-5-8(18)9(19)6(2-17)20-5/h3-6,8-9,17-19H,1-2H2,(H2,12,13,14)/t5-,6+,8-,9-/m1/s1
InChIKeyLYHALGWGJNNIHO-HSLWUYEYSA-N
XLogP-2.11
TPSA139.54 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-2.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze (2R,3S,4S,5S)-2-[(6-aminopurin-9-yl)methyl]-5-(hydroxymethyl)oxolane-3,4-diol with MolForge

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Related Compounds

[(2R,5S)-5-[(6-aminopurin-9-yl)methyl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 59960729
[(2R,3S,4S,5R)-5-[(6-aminopurin-9-yl)methyl]-3,4-diazidooxolan-2-yl]methanol
CID 101335301
(2S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 163837057
2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 191
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 23279550
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolane-3,4-diol
CID 123223819
(2R,3R,4S,5R)-2-(6-(15N)azanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 11129405
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;chromium
CID 87862906
2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;hydrochloride
CID 18755237
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;phosphane
CID 158226828
(2R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;hydrochloride
CID 68808455
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol azide
CID 89464553

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S)-2-[(6-aminopurin-9-yl)methyl]-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4S,5S)-2-[(6-aminopurin-9-yl)methyl]-5-(hydroxymethyl)oxolane-3,4-diol (CID 11507438) is (2R,3S,4S,5S)-2-[(6-aminopurin-9-yl)methyl]-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4S,5S)-2-[(6-aminopurin-9-yl)methyl]-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4S,5S)-2-[(6-aminopurin-9-yl)methyl]-5-(hydroxymethyl)oxolane-3,4-diol is Nc1ncnc2c1ncn2C[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5S)-2-[(6-aminopurin-9-yl)methyl]-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is LYHALGWGJNNIHO-HSLWUYEYSA-N. The full InChI is InChI=1S/C11H15N5O4/c12-10-7-11(14-3-13-10)16(4-15-7)1-5-8(18)9(19)6(2-17)20-5/h3-6,8-9,17-19H,1-2H2,(H2,12,13,14)/t5-,6+,8-,9-/m1/s1.
What are the key properties of (2R,3S,4S,5S)-2-[(6-aminopurin-9-yl)methyl]-5-(hydroxymethyl)oxolane-3,4-diol?
(2R,3S,4S,5S)-2-[(6-aminopurin-9-yl)methyl]-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 281.27 g/mol, XLogP of -2.11, 3 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S)-2-[(6-aminopurin-9-yl)methyl]-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 11507438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).